N-(3-ethanoylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3S2/c1-14(24)15-3-2-4-17(13-15)21-19(27)22-9-11-23(12-10-22)28(25,26)18-7-5-16(20)6-8-18/h2-8,13H,9-12H2,1H3,(H,21,27)